化工社化工社 化学情報印刷レポート · 研究参考用
p-ニトロフェノールりん酸
4-ニトロフェノールりん酸 · りん酸二水素p-ニトロフェニル · りん酸二水素4-ニトロフェニル · りん酸O-(4-ニトロフェニル) · りん酸二水素=p-ニトロフェニル · 4-ニトロフェニルホスファート · p-ニトロフェニルりん酸 · りん酸二水素(4-ニトロフェニル)
識別子と物理属性
| CAS No. | 12778-12-0 |
|---|---|
| 分子式 | C6H6NO6P |
| 平均分子量 | 219.09 g/mol |
| 単同位体質量 | 218.99327391 g/mol |
| SMILES | O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1 |
| InChIKey | XZKIHKMTEMTJQX-UHFFFAOYSA-N |
| PubChem CID | 378 |
| ChEMBL | CHEMBL24231 |
| ChEBI | CHEBI:17440 |
| EC No. | 206-353-9 |
| DTXSID | DTXSID60861876 |
| 現地名 | p-ニトロフェノールりん酸 |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 113 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 2 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 250 |
| 融点 | 153 °C |
| 沸点 | 457.8±47.0 °C(Predicted) |
| 密度 | 1.712±0.06 g/cm3(Predicted) |
| 貯蔵条件 | 2-8°C |
| 溶解度 | H2O: 0.1 g/mL、透明 |
| pKa（酸解離定数） | 0.86±0.30(Predicted) |
| 色 | 白色～淡黄色の結晶性粉末 |
| EPAの化学物質情報 | Phosphoric acid, mono(4-nitrophenyl) ester (330-13-2) |
安全性と法規制
| GHS 分類 | WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 有害性の概要 | See Paraoxon. See o-Nitroanisole. |
| Hazard Classes and Categories | Acute Tox. 4 (66.7%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (66.7%) |
| F | 8-10-21 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
用途
使用
4-Nitrophenyl phosphate undergoes hydrolysis readily, and is used for measuring alkaline phosphatase activity in human serum.